./iterations/neb0_image04_iter22.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
#MD System 2.0
@Title neb0_image04
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.363802562024 0.561079256989 0.412940381995} C1 1 1
14 {} {0.340550015299 0.534470608056 0.523376502285} Si1 2 1
14 {} {0.425353805127 0.571762477644 0.408533216777} Si2 3 1
8 {} {0.353658006872 0.591277955431 0.59952355579} O1 4 1
8 {} {0.285649270144 0.532669586558 0.516411043542} O2 5 1
6 {} {0.35943974839 0.449279756321 0.558237345343} C2 6 1
6 {} {0.456278170079 0.491159532728 0.393895553684} C3 7 1
8 {} {0.438318136949 0.606858750033 0.507325037672} O3 8 1
8 {} {0.438011538275 0.623612691456 0.325710915302} O4 9 1
14 {} {0.235190149119 0.537389979317 0.557715738787} Si3 10 1
7 {} {0.215467640197 0.459222136283 0.591954185298} N1 11 1
14 {} {0.19301748928 0.450865121548 0.699501759458} Si4 12 1
14 {} {0.216008033572 0.391453533355 0.516885660767} Si5 13 1
7 {} {0.20992269345 0.412630603816 0.406426502556} N2 14 1
7 {} {0.142558490029 0.489908231003 0.719693687256} N3 15 1
1 {} {0.353875460413 0.525390004722 0.36057468563} H1 16 1
1 {} {0.348310263268 0.609418330719 0.395869594832} H2 17 1
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1 {} {0.35074249699 0.410674905297 0.508900926783} H4 19 1
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1 {} {0.492294044335 0.500892891301 0.390815534484} H7 22 1
1 {} {0.446813939866 0.466861180228 0.330699141038} H8 23 1
1 {} {0.450122252456 0.455599119101 0.448563340185} H9 24 1
1 {} {0.469198376513 0.620794555259 0.513553588751} H10 25 1
1 {} {0.46995124044 0.624134905825 0.313582723088} H11 26 1
1 {} {0.233457210772 0.581479945551 0.637952369962} H12 27 1
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1 {} {0.1863505927 0.377842943852 0.713681545828} H14 29 1
1 {} {0.224549048701 0.480085946253 0.765432139878} H15 30 1
1 {} {0.259260157554 0.354964987079 0.52270280672} H16 31 1
1 {} {0.17842805955 0.34692341492 0.543510087206} H17 32 1
1 {} {0.236936636616 0.427374513453 0.370474411324} H18 33 1
1 {} {0.181940375469 0.436147497694 0.384307995984} H19 34 1
1 {} {0.141816072603 0.539535396813 0.734562767198} H20 35 1
1 {} {0.114546449119 0.47616103619 0.686051545929} H21 36 1
6 {} {0.627183564195 0.631630004346 0.350080547959} C4 37 1
14 {} {0.58424542501 0.569123221285 0.387539190708} Si6 38 1
14 {} {0.621436638813 0.720027481315 0.386615165412} Si7 39 1
8 {} {0.534438732773 0.606415991441 0.38218336179} O5 40 1
8 {} {0.584617238572 0.504732937477 0.320359264267} O6 41 1
6 {} {0.594929356591 0.537108355967 0.502489468301} C5 42 1
6 {} {0.639512326929 0.737078772866 0.503818921551} C6 43 1
8 {} {0.566530129355 0.734843109322 0.375186029445} O7 44 1
8 {} {0.649087154081 0.769430032977 0.316732971883} O8 45 1
14 {} {0.578240198583 0.444058560512 0.247533408921} Si8 46 1
7 {} {0.590813724598 0.366178455467 0.29054058571} N4 47 1
14 {} {0.547122264304 0.309699734084 0.313823350021} Si9 48 1
14 {} {0.645285532087 0.340805644863 0.315765075616} Si10 49 1
7 {} {0.686375387252 0.386993913268 0.264598441306} N5 50 1
7 {} {0.523291389613 0.266697442275 0.227014906454} N6 51 1
1 {} {0.660546817154 0.613226063631 0.368817698539} H22 52 1
1 {} {0.626242002265 0.632314521856 0.276438183072} H23 53 1
1 {} {0.53731386239 0.655346164459 0.377730013092} H24 54 1
1 {} {0.62704176433 0.510510305935 0.505293899315} H25 55 1
1 {} {0.568762344745 0.501630021151 0.522713093738} H26 56 1
1 {} {0.595824630704 0.577669223418 0.552066763864} H27 57 1
1 {} {0.634242637723 0.789852206123 0.522009374959} H28 58 1
1 {} {0.675101230833 0.725661759165 0.513194475236} H29 59 1
1 {} {0.620522315412 0.706522519332 0.551568194074} H30 60 1
1 {} {0.556008147109 0.780656782058 0.37219802523} H31 61 1
1 {} {0.667021312548 0.805102021562 0.341792992589} H32 62 1
1 {} {0.530539021908 0.44221226722 0.218688150883} H33 63 1
1 {} {0.607475587525 0.460261843379 0.17002921311} H34 64 1
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1 {} {0.654624658243 0.346863953096 0.413331903387} H37 67 1
1 {} {0.649193032852 0.269316690419 0.28763089597} H38 68 1
1 {} {0.699710342945 0.427749422749 0.294941594336} H39 69 1
1 {} {0.689362161241 0.389903390474 0.197225884531} H40 70 1
1 {} {0.501079249818 0.289811263264 0.186259889719} H41 71 1
1 {} {0.540646471969 0.231255105098 0.193206600504} H42 72 1
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